N-(1-cyano-2-methylpropyl)-2-methylbutanamide

C₁₀H₁₈N₂O — CID 63928753

About N-(1-cyano-2-methylpropyl)-2-methylbutanamide

N-(1-cyano-2-methylpropyl)-2-methylbutanamide (PubChem CID 63928753) has the molecular formula C₁₀H₁₈N₂O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-2-methylbutanamide.

Molecular Properties

• Compound Name: N-(1-cyano-2-methylpropyl)-2-methylbutanamide
• PubChem CID: 63928753
• Molecular Formula: C₁₀H₁₈N₂O
• Molecular Weight: 182.27 g/mol
• Exact Mass: 182.14
• IUPAC Name: N-(1-cyano-2-methylpropyl)-2-methylbutanamide
• SMILES: CCC(C)C(=O)NC(C#N)C(C)C
• InChI: InChI=1S/C10H18N2O/c1-5-8(4)10(13)12-9(6-11)7(2)3/h7-9H,5H2,1-4H3,(H,12,13)
• InChIKey: DEQAXRBEDQIRPW-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 52.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.27
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-2-methylbutanamide?

The IUPAC name of N-(1-cyano-2-methylpropyl)-2-methylbutanamide (CID 63928753) is N-(1-cyano-2-methylpropyl)-2-methylbutanamide.

What is the SMILES notation for N-(1-cyano-2-methylpropyl)-2-methylbutanamide?

The canonical SMILES for N-(1-cyano-2-methylpropyl)-2-methylbutanamide is CCC(C)C(=O)NC(C#N)C(C)C.

What is the InChIKey of N-(1-cyano-2-methylpropyl)-2-methylbutanamide?

The InChIKey is DEQAXRBEDQIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-8(4)10(13)12-9(6-11)7(2)3/h7-9H,5H2,1-4H3,(H,12,13).

What are the key properties of N-(1-cyano-2-methylpropyl)-2-methylbutanamide?

N-(1-cyano-2-methylpropyl)-2-methylbutanamide has a molecular weight of 182.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyano-2-methylpropyl)-2-methylbutanamide is sourced from PubChem (CID 63928753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63928753 — identifiers, structure, computed properties (public domain)

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